[ViewVC] Diff of: OpenMD/trunk/src/io/NonBondedInteractionsSectionParser.cpp

Comparing branches/development/src/io/NonBondedInteractionsSectionParser.cpp (file contents):
Revision 1623 by gezelter, Wed Sep 15 19:32:10 2010 UTC vs.
Revision 1624 by gezelter, Tue Sep 13 14:12:54 2011 UTC

#	Line 45 \| Line 45
45		#include "types/MAWInteractionType.hpp"
46		#include "types/LennardJonesInteractionType.hpp"
47		#include "types/RepulsiveMorseInteractionType.hpp"
48	+	#include "types/RepulsivePowerInteractionType.hpp"
49		#include "UseTheForce/ForceField.hpp"
50		#include "utils/simError.h"
51		namespace OpenMD {
#	Line 53 \| Line 54 \| namespace OpenMD {
54		setSectionName("NonBondedInteractions");
55
56		stringToEnumMap_["MAW"] = MAW;
57	<	stringToEnumMap_["ShiftedMorse"] = ShiftedMorse;
57	>	stringToEnumMap_["ShiftedMorse"] = ShiftedMorse;
58		stringToEnumMap_["LennardJones"] = LennardJones;
59		stringToEnumMap_["RepulsiveMorse"] = RepulsiveMorse;
60	+	stringToEnumMap_["RepulsivePower"] = RepulsivePower;
61
62		}
63
#	Line 137 \| Line 139 \| namespace OpenMD {
139		interactionType = new LennardJonesInteractionType(sigma, epsilon);
140		}
141		break;
142	+
143	+	case RepulsivePower :
144	+	if (nTokens < 3) {
145	+	sprintf(painCave.errMsg, "NonBondedInteractionsSectionParser Error: Not enough tokens at line %d\n",
146	+	lineNo);
147	+	painCave.isFatal = 1;
148	+	simError();
149	+	} else {
150	+	RealType sigma = tokenizer.nextTokenAsDouble();
151	+	RealType epsilon = tokenizer.nextTokenAsDouble();
152	+	int nRep = tokenizer.nextTokenAsInt();
153	+	interactionType = new RepulsivePowerInteractionType(sigma, epsilon, nRep);
154	+	}
155	+	break;
156
157		case Unknown :
158		default:

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